SCHEMBL4061817

SCHEMBL4061817

COc1ccc(C2(C#N)CCC(=O)CC2)c2cc[nH]c12.COc1ccc(C2CCC(=O)CC2)c2c3cc(F)ccc3n(C)c12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ BRD4 O60885 6/20 0.33
▸ CECR2 Q9BXF3 1/20 0.32
▸ BRD2 P25440 1/20 0.31
▸ HTR1A P08908 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13693820 0.82 PDE4A (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL4055500 0.81 KDM4E (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL4230852 0.78 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL13693694 0.70 PDE4A (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL4059484 0.70 PSEN1 (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL4063486 0.70 MYLK (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL4371841 0.70 HPGD (0.42) —
SCHEMBL4058784 0.69 KDM4E (0.34) —
SCHEMBL4051723 0.69 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL4238264 0.69 PDE4B (0.36) PDE4APDE4BPDE4CPDE4DCECR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 — — WO claimed
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